methyl 5-[[4-(2-benzamido-2-oxidanyl-ethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2-benzamido-2-oxidanyl-ethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-benzamido-2-hydroxy-acetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-benzamido-2-hydroxy-1-oxoethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-benzamido-2-hydroxyacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-benzamido-2-hydroxy-acetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C(NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C(NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25N3O6/c1-29-21(28)17-9-8-16(30-17)14-23-10-5-11-24(13-12-23)20(27)19(26)22-18(25)15-6-3-2-4-7-15/h2-4,6-9,19,26H,5,10-14H2,1H3,(H,22,25)